8-methoxy-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Chemical Structure Depiction of
8-methoxy-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
8-methoxy-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | 2432-4303 |
| Compound Name: | 8-methoxy-3-{5-[3-(trifluoromethyl)anilino]-1,3,4-thiadiazol-2-yl}-2H-1-benzopyran-2-one |
| Molecular Weight: | 419.38 |
| Molecular Formula: | C19 H12 F3 N3 O3 S |
| Smiles: | COc1cccc2C=C(C(=O)Oc12)c1nnc(Nc2cccc(c2)C(F)(F)F)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.1501 |
| logD: | 5.1501 |
| logSw: | -5.2492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.661 |
| InChI Key: | DPHOCNJIRXTXRS-UHFFFAOYSA-N |